DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:25 UTC
Update Date	2025-03-21 18:29:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075118
Frequency	39.4
Structure
Chemical Formula	C₁₀H₁₃N₅O₄S
Molecular Mass	299.0688
SMILES	Nc1nc2c(ncn2C2OC(CS)C(O)C2O)c(=O)[nH]1
InChI Key	HOANPOMNZKCAGU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-deoxy-5'-thionucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alkylthiols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds organosulfur compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam monosaccharide pyrimidone imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran 5'-deoxy-5'-thionucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine alkylthiol organooxygen compound

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